2-(2-phenoxyethylsulfanyl)-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(2-phenoxyethylsulfanyl)-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(2-phenoxyethylsulfanyl)-1-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(2-phenoxyethylthio)-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(2-phenoxyethylsulfanyl)-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(2-phenoxyethylthio)-1-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]ethanone Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CSCCOC2=CC=CC=C2)CC3=CC=NC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CSCCOC2=CC=CC=C2)CC3=CC=NC=C3

InChI

InChI=1S/C21H27N3O2S/c25-21(18-27-16-15-26-20-5-2-1-3-6-20)24-12-4-11-23(13-14-24)17-19-7-9-22-10-8-19/h1-3,5-10H,4,11-18H2